Completing data — usually done within a minute
Basic information
- CAS
34399-78-5- Standard SMILES
COC(=O)CCC1CCC(=O)C1- InChIKey
WRANGJCMCATUMR-UHFFFAOYSA-N- Molecular formula
- C9H14O3
- Average molar mass
- 170.21 g/mol
- Monoisotopic mass
- 170.09429431
Names & identifiers
- Preferred name
- Methyl 3-(3-oxocyclopentyl)propanoate
- IUPAC
- methyl 3-(3-oxocyclopentyl)propanoate
Names & synonyms
Methyl 3-(3-oxocyclopentyl)propanoate34399-78-53-(3-oxo-cyclopentyl)-propionic acid methyl esterNSC 177456NSC177456SCHEMBL6520162DTXSID60306555NSC-177456Methyl 3-(3-oxocyclopentyl)propanoate #DS-000997Cyclopentanepropanoic acid, 3-oxo-, methyl esterEN300-7437178
Database identifiers
- CAS
34399-78-5- PubChem CID
- 301170
- DTXSID
DTXSID60306555
Properties
Computed structural propertiesFilling in
- XLogP
- 0.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 186
Related reactions
3 records
Compound notes
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